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Bis-PEG2-PFP ester

CAT: 0931-T14633-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T14633-01Size:100 mg
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CAS Number
1314378-18-1
Target
ADC Linker, PROTAC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related, PROTAC
Bioactivity
Bis-PEG2-PFP ester is a non-cleavable 2-unit polyethylene glycol (PEG) linker employed in the synthesis of antibody-drug conjugates (ADCs) [1]. Additionally, Bis-PEG2-PFP ester serves as a PEG-based linker for the synthesis of proteolysis targeting chimeras (PROTACs) [2].
Smiles
O=C(OC=1C(F)=C(F)C(F)=C(F)C1F)CCOCCOCCC(=O)OC=2C(F)=C(F)C(F)=C(F)C2F
Molecular Formula
C20H12F10O6
Molecular Weight
538.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bis-PEG2-PFP ester
CAS Number1314378-18-1
PubChem CID60146197
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]ethoxy]propanoate
Molecular FormulaC20H12F10O6
Molecular Weight538.3
XLogP3.7
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count13
Heavy Atom Count36
Formal Charge0
Complexity632
SMILES
C(COCCOCCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C20H12F10O6/c21-9-11(23)15(27)19(16(28)12(9)24)35-7(31)1-3-33-5-6-34-4-2-8(32)36-20-17(29)13(25)10(22)14(26)18(20)30/h1-6H2
InChIKey
DPFPFPKSMPNASW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-PEG2-PFP ester
CAS: 1314378-18-1
CID: 60146197
Formula: C20H12F10O6
MW: 538.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight538.3
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count13
Exact Mass538.04741972
Monoisotopic Mass538.04741972
Topological Polar Surface Area71.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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